AG003DRL

4549-31-9 | 1,7-Dibromoheptane

AG003DRL

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CAS Number	4549-31-9
Catalog Number	AG003DRL(AGN-PC-0JLRA5)
Chemical Name	1,7-Dibromoheptane
EC Number	224-910-4
IUPAC Name	1,7-dibromoheptane
InChI	InChI=1S/C7H14Br2/c8-6-4-2-1-3-5-7-9/h1-7H2
InChI Key	LVWSZGCVEZRFBT-UHFFFAOYSA-N
MDL Number	MFCD00733553
Molecular Formula	C7H14Br2
Molecular Weight	257.9941
NSC Number	56149
SMILES	BrCCCCCCCBr
Synonyms	1,7-Dibromoheptane, 4549-31-9, Heptamethylene dibromide, Heptane, 1,7-dibromo-, LVWSZGCVEZRFBT-UHFFFAOYSA-N, AK109234, W-106133, NSC56149, EINECS 224-910-4, Heptane,7-dibromo-, NSC 56149, 1,7-dibromo-heptane, PubChem3887, Dibromo-1,7 heptane, AI3-11015, ACMC-209k2q, AC1L2UY9, NCIOpen2_002541, SCHEMBL31090, 1,7-Dibromoheptane, 97%, KSC236M7H, AC1Q27V0, DTXSID6063519, CTK1D6673, LVWSZGCVEZRFBT-UHFFFAOYSA-, KS-00000M0Z, STR06984, ZINC1686748, ZX-AT019929, 6270AB, ANW-30288, MFCD00000274, NSC-56149, OR1556, AKOS015903053, ACM4549319, AS03556, CS-W010166, FCH1319882, MCULE-4094304263, TRA0051072, BC002651, SC-04650, ST2414893, TR-017279, 4CH-014441, D2119, FT-0607023, 549D319, I14-18979, InChI=1/C7H14Br2/c8-6-4-2-1-3-5-7-9/h1-7H2, C7H14Br2, C7-H14-Br2, KST-1B4501, CID78309, AR-1B8364, 4887-98-3,

Complexity	40.2
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	257.944g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	257.997g/mol
Monoisotopic Mass	255.946g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H300-H411
Packing Group	Ⅲ
Precautionary statements	P264-P273-P301+P310
UN Code	UN 2810

Certificate of Analysis

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