AG004X4G

82072-23-9 | 3-(Bromomethyl)benzaldehyde

AG004X4G

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CAS Number	82072-23-9
Catalog Number	AG004X4G(AGN-PC-0LWSEW)
Chemical Name	3-(Bromomethyl)benzaldehyde
IUPAC Name	3-(bromomethyl)benzaldehyde
InChI	InChI=1S/C8H7BrO/c9-5-7-2-1-3-8(4-7)6-10/h1-4,6H,5H2
InChI Key	OEPGAYXSRGROSQ-UHFFFAOYSA-N
MDL Number	MFCD06797497
Molecular Formula	C8H7BrO
Molecular Weight	199.0446
SMILES	O=CC1=CC=CC(CBr)=C1
Synonyms	3-(bromomethyl)benzaldehyde, 82072-23-9, 3-bromomethylbenzaldehyde, 3-Bromomethyl-benzaldehyde, Benzaldehyde, 3-(bromomethyl)-, AK-54641, PubChem17017, AC1OFHT0, alpha-Bromo-m-tolualdehyde, 3-(bromomethyl)-benzaldehyde, KSC447Q4H, SCHEMBL190072, CTK3E7843, DTXSID80427817, OEPGAYXSRGROSQ-UHFFFAOYSA-N, KS-00000NB6, ZINC4200694, ZX-AT000369, ANW-46635, BBL103876, CL8311, FCH921242, MFCD06797497, OR1453, SBB052151, STL557686, AKOS005257291, ACN-049398, AS04511, CS-W004961, RTC-030723, VZ26068, AJ-48318, BC004186, CC-12618, CJ-11390, DS-14575, EN000515, SC-43265, AB0026851, AX8080502, DB-006245, ST2404801, TC-030723, 4CH-000899, AM20041203, FT-0080851, FT-0600730, W8602, X-1322, C-09299, I14-108676, I14-108830, C8H7BrO, ZINC04200694, CID7127825, A10015,

Complexity	114
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	197.968g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	199.047g/mol
Monoisotopic Mass	197.968g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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