AG00IBXH

6938-66-5 | Docosane, 1-bromo-

AG00IBXH

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CAS Number	6938-66-5
Catalog Number	AG00IBXH(AGN-PC-0JLT6X)
Chemical Name	Docosane, 1-bromo-
EC Number	230-069-4
IUPAC Name	1-bromodocosane
InChI	InChI=1S/C22H45Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h2-22H2,1H3
InChI Key	QYOXLKAKUAASNA-UHFFFAOYSA-N
MDL Number	MFCD00013543
Molecular Formula	C22H45Br
Molecular Weight	389.4967
NSC Number	53991
SMILES	C(CCCCCCCCCCBr)CCCCCCCCCCC
Synonyms	1-Bromodocosane, 6938-66-5, Docosane, 1-bromo-, Behenyl bromide, Docosyl bromide, n-Docosyl bromide, bromodocosane, QYOXLKAKUAASNA-UHFFFAOYSA-N, AK113187, docosylbromide, C22H45Br, EINECS 230-069-4, ACMC-1B2OZ, AC1Q27VV, KSC355O1N, SCHEMBL318151, AC1L315I, DTXSID3064510, CTK2F5716, EBD93033, NSC53991, ZINC6921162, 0714AC, ANW-35659, MFCD00013543, NSC-53991, SBB060497, AKOS015843178, MCULE-3212934075, RTC-071452, AX8057534, DB-055266, ST2415263, TC-071452, B0392, FT-0607526, ST51046670, A22880, C-51430, S14-1527, 5-(p-nitrophenyl)-2-furaldehyde;5-(P-Nitrophenyl)-2-furancarbaldehyde, C22-H45-Br, 5-(4-Nitrophenyl)-2-furaldehyde, CID81355, AR-1H7801, 7147-77-5,

Complexity	190
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	388.27g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	389.506g/mol
Monoisotopic Mass	388.27g/mol
Rotatable Bond Count	20
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	12.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

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